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Phase transitions to dipolar clusters and charge density waves in high Tc superconductors [PDF]

, 2016
We show that doping of hole charge carriers leads to formation of electric dipolar clusters in cuprates. They are created by many-body interactions between the dopant ion outside and holes inside the CuO planes. Because of the two-fold degeneracy holes in the CuO plane cluster into four-particles resonance valence bond plaquettes bound with dopant ions.
arxiv +1 more source

Ab initio properties of Li-Group-II molecules for ultracold matter studies [PDF]

, 2011
We perform a systematic investigation of the electronic properties of the $^2\Sigma^+$ ground state of Li-alkaline-earth dimers. These molecules are proposed as possible candidates for quantum simulation of lattice-spin models. We apply powerful quantum chemistry coupled-cluster methods with large basis sets to calculate potential energies, permanent ...
arxiv +1 more source

Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical Correlation [PDF]

arXiv
The dipole moment is a crucial molecular property linked to a molecular system's bond polarity and overall electronic structure. To that end, the electronic dipole moment, which results from the electron density of a system, is often used to assess the accuracy and reliability of new electronic structure methods.
arxiv

Graphene Straintronics by Molecular Trapping [PDF]

arXiv
Here, we report on controlling strain in graphene by trapping molecules at the graphene-substrate interface, leveraging molecular dipole moments. Spectroscopic and transport measurements show that strain correlates with the dipole moments of trapped molecules, with a dipole range of 1.5 D to 4.9 D resulting in a 50-fold increase in strain and a ...
arxiv

Microwave Spectrum, Intramolecular Hydrogen Bond, Dipole Moment and Centrifugal Distortion of 2-Fluoropropanol. [PDF]